1ZH9
carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-09-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.270, 41.980, 72.000 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.1571 |
| Rwork | 0.153 |
| R-free | 0.21160 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.025 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 24969 | |
| <I/σ(I)> | 13.1 | 5.2 |
| Completeness [%] | 91.7 | 69.8 |
| Redundancy | 1.8 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | soaking | 8 | 277 | ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl, pH 8.0, soaking, temperature 277K |
